BDBM50209555 CHEMBL394358::cyclohexyl (R)-1-((2S,3S)-4-((R)-4-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl)-5,5-dimethylthiazolidin-3-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-(methylthio)-1-oxopropan-2-ylcarbamate
SMILES: CSC[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=BAHVZVKBOWQTQO-RWIUVVJRSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 2 (Plasmodium falciparum) | BDBM50209555 (CHEMBL394358 | cyclohexyl (R)-1-((2S,3S)-4-((R)-4-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 | Bioorg Med Chem Lett 17: 3048-52 (2007) Article DOI: 10.1016/j.bmcl.2007.03.052 BindingDB Entry DOI: 10.7270/Q2J102VZ | |||||||||||
More data for this Ligand-Target Pair |